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CONE-25,26,27,28-TETRA-N-PROPOXY-5,11,17,23-TETRAKIS-(4-PYRIDYLETHYNYL)-CALIX-[4]-ARENE
SpectraBase Compound ID LC2lyM4K17h
InChI InChI=1S/C68H60N4O4/c1-5-33-73-65-57-37-53(13-9-49-17-25-69-26-18-49)38-58(65)46-60-40-55(15-11-51-21-29-71-30-22-51)42-62(67(60)75-35-7-3)48-64-44-56(16-12-52-23-31-72-32-24-52)43-63(68(64)76-36-8-4)47-61-41-54(14-10-50-19-27-70-28-20-50)39-59(45-57)66(61)74-34-6-2/h17-32,37-44H,5-8,33-36,45-48H2,1-4H3
InChIKey XPHITCLHOQCTES-UHFFFAOYSA-N
Mol Weight 997.3 g/mol
Molecular Formula C68H60N4O4
Exact Mass 996.461456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71ZXcuxJu3r
Name CONE-25,26,27,28-TETRA-N-PROPOXY-5,11,17,23-TETRAKIS-(4-PYRIDYLETHYNYL)-CALIX-[4]-ARENE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H60N4O4
InChI InChI=1S/C68H60N4O4/c1-5-33-73-65-57-37-53(13-9-49-17-25-69-26-18-49)38-58(65)46-60-40-55(15-11-51-21-29-71-30-22-51)42-62(67(60)75-35-7-3)48-64-44-56(16-12-52-23-31-72-32-24-52)43-63(68(64)76-36-8-4)47-61-41-54(14-10-50-19-27-70-28-20-50)39-59(45-57)66(61)74-34-6-2/h17-32,37-44H,5-8,33-36,45-48H2,1-4H3
InChIKey XPHITCLHOQCTES-UHFFFAOYSA-N
Literature Reference Author G.DYKER,M.MASTALERZ,I.M.MUELLER
Literature Reference Citation EUR.J.ORG.CHEM.,3801(2005)
Molecular Weight 997.249 g/mol
Sample ID 30440
Solvent CDCl3